# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 1989--Adams-J-B-Foiles-S-M-Wolfer-W-G--Au # implementation = 1989--Adams-J-B--Au--LAMMPS--ipr1 # composition = Au # NOTE: These values are for static, unrelaxed structures and use the ideal # b/a and c/a ratios for the crystal structure, not the potential-specific # values. # Calculations from the NIST Interatomic Potential Repository Project: # http://www.ctcms.nist.gov/potentials/ # Table generated 2022-05-24 r A1--Cu--fcc A15--beta-W A2--W--bcc A3'--alpha-La--d A3--Mg--hcp A4--C--dc A5--beta-Sn A6--In--bct A7--alpha-As Ah--alpha-Po--sc 0.50 nan nan nan nan nan nan nan nan nan nan 0.52 nan nan nan nan nan nan nan nan nan nan 0.54 nan nan nan nan nan nan nan nan nan nan 0.56 nan nan nan nan nan nan nan nan nan nan 0.58 nan nan nan nan nan nan nan nan nan nan 0.60 nan nan nan nan nan nan nan nan nan nan 0.62 nan nan nan nan nan nan nan nan nan nan 0.64 nan nan nan nan nan nan nan nan nan nan 0.66 nan nan nan nan nan nan nan nan nan nan 0.68 nan nan nan nan nan nan nan nan nan nan 0.70 nan nan nan nan nan nan nan nan nan nan 0.72 nan nan nan nan nan nan nan nan 1.855555124e+03 nan 0.74 nan nan nan nan nan nan nan nan 1.668688686e+03 nan 0.76 nan nan nan nan nan 1.307261351e+03 nan nan 1.503431514e+03 nan 0.78 nan nan nan nan nan 1.180487759e+03 nan nan 1.356904302e+03 nan 0.80 nan nan nan nan nan 1.067799691e+03 nan nan 1.226664225e+03 nan 0.82 nan nan nan nan nan 9.673996682e+02 nan nan 1.110631408e+03 nan 0.84 nan nan nan nan nan 8.777509127e+02 nan nan 1.007027837e+03 nan 0.86 nan nan nan nan nan 7.975340813e+02 nan nan 9.143285752e+02 nan 0.88 nan nan nan 1.880154393e+03 1.880182930e+03 7.256132501e+02 nan nan 8.312217263e+02 1.214289832e+03 0.90 nan 1.085233218e+03 nan 1.721686094e+03 1.721713365e+03 6.610072526e+02 1.119036696e+03 nan 7.565746212e+02 1.108590264e+03 0.92 nan 9.910032036e+02 nan 1.578523702e+03 1.578549765e+03 6.028658559e+02 1.022580446e+03 nan 6.894059453e+02 1.013287088e+03 0.94 nan 9.059312425e+02 nan 1.448958849e+03 1.448983748e+03 5.504506928e+02 9.354677110e+02 nan 6.288635123e+02 9.272084551e+02 0.96 nan 8.289994640e+02 nan 1.331500971e+03 1.331524796e+03 5.031180486e+02 8.566630709e+02 nan 5.742050051e+02 8.493330675e+02 0.98 nan 7.593191112e+02 nan 1.224846051e+03 1.224868918e+03 4.603053961e+02 7.852617138e+02 1.130611024e+03 5.247820795e+02 7.787678521e+02 1.00 1.127828118e+03 6.961117286e+02 1.003565097e+03 1.127849937e+03 1.127872001e+03 4.215207934e+02 7.204710872e+02 1.040353627e+03 4.800269200e+02 7.147303366e+02 1.02 1.039485289e+03 6.386937614e+02 9.239977953e+02 1.039506628e+03 1.039527940e+03 3.863327520e+02 6.615945774e+02 9.581818891e+02 4.394413726e+02 6.565335942e+02 1.04 9.589088602e+02 5.864642256e+02 8.514694388e+02 9.589295882e+02 9.589500291e+02 3.543618467e+02 6.080193855e+02 8.832657454e+02 4.025872902e+02 6.035724022e+02 1.06 8.853164772e+02 5.388926788e+02 7.852685401e+02 8.853362345e+02 8.853557773e+02 3.252737120e+02 5.592047582e+02 8.148721916e+02 3.690783092e+02 5.553120697e+02 1.08 8.180153072e+02 4.955105728e+02 7.247649905e+02 8.180338783e+02 8.180525511e+02 2.987731463e+02 5.146723748e+02 7.523525608e+02 3.385730266e+02 5.112803175e+02 1.10 7.563904424e+02 4.559025386e+02 6.694004438e+02 7.564080142e+02 7.564258223e+02 2.745988920e+02 4.739982802e+02 6.951316383e+02 3.107692401e+02 4.710584275e+02 1.12 6.998960958e+02 4.197002406e+02 6.186793916e+02 6.999126797e+02 6.999296850e+02 2.525196415e+02 4.368061382e+02 6.426985944e+02 2.853987976e+02 4.342741157e+02 1.14 6.480459491e+02 3.865755504e+02 5.721602042e+02 6.480618739e+02 6.480781481e+02 2.323299121e+02 4.027609024e+02 5.945986266e+02 2.622233440e+02 4.005964366e+02 1.16 6.004066287e+02 3.562363019e+02 5.294492604e+02 6.004221941e+02 6.004378108e+02 2.138468324e+02 3.715637265e+02 5.504264368e+02 2.410306943e+02 3.697304676e+02 1.18 5.565908153e+02 3.284214004e+02 4.901950802e+02 5.566059511e+02 5.566209050e+02 1.969076515e+02 3.429477682e+02 5.098197496e+02 2.216315648e+02 3.414129094e+02 1.20 5.162516006e+02 3.028975654e+02 4.540826171e+02 5.162661676e+02 5.162804994e+02 1.813671628e+02 3.166745281e+02 4.724541199e+02 2.038568689e+02 3.154082269e+02 1.22 4.790779728e+02 2.794556082e+02 4.208296976e+02 4.790918050e+02 4.791054817e+02 1.670955360e+02 2.925303028e+02 4.380386275e+02 1.875553440e+02 2.915051680e+02 1.24 4.447903367e+02 2.579074775e+02 3.901829154e+02 4.448033738e+02 4.448163423e+02 1.539765125e+02 2.703231909e+02 4.063120342e+02 1.725914357e+02 2.695139693e+02 1.26 4.131372458e+02 2.380843523e+02 3.619142855e+02 4.131494405e+02 4.131616770e+02 1.419058757e+02 2.498805901e+02 3.770392307e+02 1.588433998e+02 2.492642254e+02 1.28 3.838920660e+02 2.198340090e+02 3.358178522e+02 3.839034010e+02 3.839149332e+02 1.307897814e+02 2.310470585e+02 3.500083691e+02 1.462018856e+02 2.306025142e+02 1.30 3.568499713e+02 2.030190936e+02 3.117079494e+02 3.568605999e+02 3.568714995e+02 1.205439353e+02 2.136823525e+02 3.250280319e+02 1.345683615e+02 2.133905458e+02 1.32 3.318259155e+02 1.875157526e+02 2.894166163e+02 3.318360032e+02 3.318463212e+02 1.110921912e+02 1.976599645e+02 3.019253630e+02 1.238541573e+02 1.975035108e+02 1.34 3.086524011e+02 1.732119822e+02 2.687920965e+02 3.086620719e+02 3.086718483e+02 1.023661619e+02 1.828654926e+02 2.805438896e+02 1.139792881e+02 1.828284180e+02 1.36 2.871776855e+02 1.600061608e+02 2.496967033e+02 2.871869007e+02 2.871961695e+02 9.430408530e+01 1.691952555e+02 2.607417024e+02 1.048714076e+02 1.692631704e+02 1.38 2.672637139e+02 1.478060903e+02 2.320051627e+02 2.672725598e+02 2.672813862e+02 8.684991645e+01 1.565553224e+02 2.423900159e+02 9.646505878e+01 1.567149814e+02 1.40 2.487852256e+02 1.365282546e+02 2.156039432e+02 2.487937373e+02 2.488021798e+02 7.995301121e+01 1.448603336e+02 2.253717462e+02 8.870098928e+01 1.450999148e+02 1.42 2.316281449e+02 1.260967165e+02 2.003896918e+02 2.316363503e+02 2.316444547e+02 7.356739546e+01 1.340327751e+02 2.095803928e+02 8.152534864e+01 1.343417105e+02 1.44 2.156885570e+02 1.164422650e+02 1.862682427e+02 2.156963792e+02 2.157041118e+02 6.765133953e+01 1.240021607e+02 1.949189144e+02 7.488927429e+01 1.243710133e+02 1.46 2.008714234e+02 1.075018526e+02 1.731536958e+02 2.008788738e+02 2.008862357e+02 6.216689705e+01 1.147044009e+02 1.812985965e+02 6.874843481e+01 1.151246638e+02 1.48 1.870899775e+02 9.921815471e+01 1.609674701e+02 1.870970713e+02 1.871040569e+02 5.707951707e+01 1.060810562e+02 1.686385242e+02 6.306248271e+01 1.065450773e+02 1.50 1.742650021e+02 9.153884849e+01 1.496376746e+02 1.742716953e+02 1.742782951e+02 5.235763602e+01 9.807881771e+01 1.568647426e+02 5.779466790e+01 9.857971004e+01 1.52 1.623239539e+02 8.441615076e+01 1.390986772e+02 1.623302141e+02 1.623364261e+02 4.797251022e+01 9.064889327e+01 1.459095029e+02 5.291144647e+01 9.118031028e+01 1.54 1.512003443e+02 7.780627054e+01 1.292903673e+02 1.512060886e+02 1.512119157e+02 4.389788791e+01 8.374673282e+01 1.357107448e+02 4.838225469e+01 8.430303168e+01 1.56 1.408331281e+02 7.166911066e+01 1.201575143e+02 1.408383220e+02 1.408437744e+02 4.010965233e+01 7.733157474e+01 1.262115522e+02 4.417921932e+01 7.790775099e+01 1.58 1.311659664e+02 6.596807462e+01 1.116495699e+02 1.311707830e+02 1.311759006e+02 3.658586780e+01 7.136606950e+01 1.173596183e+02 4.027679892e+01 7.195761690e+01 1.60 1.221474687e+02 6.066967003e+01 1.037201038e+02 1.221520442e+02 1.221568612e+02 3.330643507e+01 6.581600148e+01 1.091070730e+02 3.665163399e+01 6.641897141e+01 1.62 1.137303641e+02 5.574318418e+01 9.632644572e+01 1.137347444e+02 1.137392888e+02 3.025292232e+01 6.065000581e+01 1.014098179e+02 3.328237246e+01 6.126093019e+01 1.64 1.058710140e+02 5.116039825e+01 8.942921886e+01 1.058752986e+02 1.058796249e+02 2.741234000e+01 5.583919884e+01 9.422735304e+01 3.015291999e+01 5.645509132e+01 1.66 9.852933832e+01 4.689542875e+01 8.299210117e+01 9.853353208e+01 9.853765960e+01 2.476924761e+01 5.135710206e+01 8.752234234e+01 2.724309394e+01 5.197539457e+01 1.68 9.166840274e+01 4.292443128e+01 7.698185322e+01 9.167247033e+01 9.167640998e+01 2.231667802e+01 4.717943921e+01 8.126038502e+01 2.454586569e+01 4.779788846e+01 1.70 8.525405600e+01 3.922550740e+01 7.136786697e+01 8.525798542e+01 8.526175459e+01 2.004307638e+01 4.328387325e+01 7.540977190e+01 2.204760546e+01 4.390045525e+01 1.72 7.925478321e+01 3.577857141e+01 6.612190236e+01 7.925858673e+01 7.926220725e+01 1.793763459e+01 3.964983886e+01 6.994127410e+01 1.973560484e+01 4.026273964e+01 1.74 7.364153705e+01 3.256891701e+01 6.121784731e+01 7.364522387e+01 7.364871366e+01 1.599021233e+01 3.625839488e+01 6.482793107e+01 1.759796558e+01 3.686604875e+01 1.76 6.838747831e+01 2.957899706e+01 5.663164194e+01 6.839100586e+01 6.839437958e+01 1.419133909e+01 3.309204897e+01 6.004482041e+01 1.562356940e+01 3.369315534e+01 1.78 6.346773021e+01 2.680038334e+01 5.234105268e+01 6.347107701e+01 6.347434677e+01 1.253209651e+01 3.013992475e+01 5.556887260e+01 1.380202816e+01 3.073174768e+01 1.80 5.885925772e+01 2.421967821e+01 4.832552315e+01 5.886244684e+01 5.886562903e+01 1.100406078e+01 2.738713350e+01 5.137876753e+01 1.212360657e+01 2.796597960e+01 1.82 5.454080668e+01 2.182428733e+01 4.456603794e+01 5.454381334e+01 5.454687682e+01 9.599250847e+00 2.482514778e+01 4.745480792e+01 1.057917552e+01 2.538960714e+01 1.84 5.049268722e+01 1.960233190e+01 4.104499851e+01 5.049548653e+01 5.049840044e+01 8.310082462e+00 2.244223500e+01 4.377875345e+01 9.160141147e+00 2.299124589e+01 1.86 4.669667280e+01 1.754271174e+01 3.774613014e+01 4.669923604e+01 4.670197370e+01 7.129280219e+00 2.022742571e+01 4.033374345e+01 7.858395680e+00 2.076019996e+01 1.88 4.313573708e+01 1.563500188e+01 3.465424499e+01 4.313809390e+01 4.314065264e+01 6.049879971e+00 1.817038825e+01 3.710406406e+01 6.666245985e+00 1.868630908e+01 1.90 3.979414975e+01 1.386943680e+01 3.176037216e+01 3.979635085e+01 3.979873874e+01 5.065311975e+00 1.626140172e+01 3.407521819e+01 5.576466078e+00 1.676009206e+01 1.92 3.665736744e+01 1.223684794e+01 2.905077624e+01 3.665945422e+01 3.666167938e+01 4.169250924e+00 1.449132284e+01 3.124024009e+01 4.582189969e+00 1.497265215e+01 1.94 3.371534901e+01 1.072862118e+01 2.651838386e+01 3.371736175e+01 3.371943221e+01 3.355625112e+00 1.285154372e+01 2.858507840e+01 3.676871223e+00 1.331559865e+01 1.96 3.095247013e+01 9.336663501e+00 2.415280522e+01 3.095439736e+01 3.095631765e+01 2.618609661e+00 1.133394067e+01 2.610260876e+01 2.854373314e+00 1.178101172e+01 1.98 2.836488197e+01 8.053302959e+00 2.194421984e+01 2.836671111e+01 2.836848766e+01 1.952289308e+00 9.930870264e+00 2.378277473e+01 2.108844218e+00 1.036136376e+01 2.00 2.594257307e+01 6.871406242e+00 1.988329277e+01 2.594430524e+01 2.594595524e+01 1.351502623e+00 8.635159712e+00 2.161606162e+01 1.434728381e+00 9.049573398e+00 2.02 2.367609573e+01 5.784271791e+00 1.796129648e+01 2.367773293e+01 2.367927193e+01 8.111815324e-01 7.440034942e+00 1.959349492e+01 8.267546728e-01 7.838957473e+00 2.04 2.155651377e+01 4.785527656e+00 1.616999471e+01 2.155805812e+01 2.155949957e+01 3.264681095e-01 6.339091881e+00 1.770656366e+01 2.799269373e-01 6.723185266e+00 2.06 1.957537449e+01 3.869251033e+00 1.450161188e+01 1.957682665e+01 1.957818214e+01 -1.072501201e-01 5.326262817e+00 1.594723340e+01 -2.105492089e-01 5.696258537e+00 2.08 1.772468325e+01 3.029710579e+00 1.294880764e+01 1.772602679e+01 1.772730625e+01 -4.938516092e-01 4.395851153e+00 1.430790964e+01 -6.491418042e-01 4.752491782e+00 2.10 1.599687507e+01 2.261813344e+00 1.150465287e+01 1.599809437e+01 1.599930679e+01 -8.377382484e-01 3.542461141e+00 1.278141177e+01 -1.039826600e+00 3.886494663e+00 2.12 1.438466783e+01 1.560674655e+00 1.016260694e+01 1.438580035e+01 1.438696998e+01 -1.142894090e+00 2.760992879e+00 1.136096969e+01 -1.386580929e+00 3.093156447e+00 2.14 1.288127491e+01 9.216980556e-01 8.916496344e+00 1.288237086e+01 1.288352412e+01 -1.412922503e+00 2.046626764e+00 1.004024114e+01 -1.693247515e+00 2.367632319e+00 2.16 1.148033365e+01 3.405661167e-01 7.760426581e+00 1.148142518e+01 1.148257410e+01 -1.651162040e+00 1.394799457e+00 8.813232141e+00 -1.963427644e+00 1.705331255e+00 2.18 1.017582707e+01 -1.867752106e-01 6.688839724e+00 1.017692375e+01 1.017806104e+01 -1.860690740e+00 8.011688314e-01 7.674282056e+00 -2.200285629e+00 1.101905359e+00 2.20 8.962065833e+00 -6.641312805e-01 5.696600084e+00 8.963177938e+00 8.964299830e+00 -2.044333996e+00 2.616700592e-01 6.618045840e+00 -2.406788559e+00 5.532403236e-01 2.22 7.833671249e+00 -1.095042620e+00 4.778681857e+00 7.834783090e+00 7.835886190e+00 -2.204970061e+00 -2.275743508e-01 5.639477218e+00 -2.585719172e+00 5.544689013e-02 2.24 6.785559046e+00 -1.482424704e+00 3.930499216e+00 6.786650998e+00 6.787732264e+00 -2.344766516e+00 -6.700900649e-01 4.733745097e+00 -2.739647199e+00 -3.951470322e-01 2.26 5.812923894e+00 -1.829803846e+00 3.147759161e+00 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